(8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione

C28H31NO9 — CID 59835284

IUPAC(8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(C)c1C2=O)C[C@@H](C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C28H31NO9/c1-11-15-7-13(17(31)10-30)8-19(38-20-9-16(29)25(32)12(2)37-20)23(15)28(35)24-21(11)26(33)14-5-4-6-18(36-3)22(14)27(24)34/h4-6,12-13,16,19-20,25,30,32,35H,7-10,29H2,1-3H3/t12-,13+,16-,19-,20-,25-/m0/s1
InChIKeyJWDUENGFVBKTDP-QTJCLGRDSA-N
MW525.55 g/mol
LogP1.49
Rot. Bonds5

About (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione

(8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione (PubChem CID 59835284) has the molecular formula C28H31NO9 and a molecular weight of 525.55 g/mol. Its IUPAC name is (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione.

Molecular Properties

Compound Name(8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione
PubChem CID59835284
Molecular FormulaC28H31NO9
Molecular Weight525.55 g/mol
Exact Mass525.20
IUPAC Name(8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(C)c1C2=O)C[C@@H](C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C28H31NO9/c1-11-15-7-13(17(31)10-30)8-19(38-20-9-16(29)25(32)12(2)37-20)23(15)28(35)24-21(11)26(33)14-5-4-6-18(36-3)22(14)27(24)34/h4-6,12-13,16,19-20,25,30,32,35H,7-10,29H2,1-3H3/t12-,13+,16-,19-,20-,25-/m0/s1
InChIKeyJWDUENGFVBKTDP-QTJCLGRDSA-N
XLogP1.49
TPSA165.61 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.55
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-1-methoxy-6-methyl-8-propanoyl-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 58756541
(10S)-10-[(2R,5S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 70292630
(8R,10S)-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-8-[2-(ethylamino)acetyl]-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 59835384
(7S,9S)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 3085300
(9S)-7-[(2R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 129010226
(7S,9S)-7-[(6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 146981399
(7S,9R)-7-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 92849511
(7S,9S)-7-[(2S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 59360012
(7R,9R)-7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 121459604
(7S,9S)-7-[(2S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;methane
CID 158554486
(7S,9S)-7-[(2R,4R,5R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
CID 123134690
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;iron(3+)
CID 10257992

Frequently Asked Questions

What is the IUPAC name of (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione?
The IUPAC name of (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione (CID 59835284) is (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione.
What is the SMILES notation for (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione?
The canonical SMILES for (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione is COc1cccc2c1C(=O)c1c(O)c3c(c(C)c1C2=O)C[C@@H](C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.
What is the InChIKey of (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione?
The InChIKey is JWDUENGFVBKTDP-QTJCLGRDSA-N. The full InChI is InChI=1S/C28H31NO9/c1-11-15-7-13(17(31)10-30)8-19(38-20-9-16(29)25(32)12(2)37-20)23(15)28(35)24-21(11)26(33)14-5-4-6-18(36-3)22(14)27(24)34/h4-6,12-13,16,19-20,25,30,32,35H,7-10,29H2,1-3H3/t12-,13+,16-,19-,20-,25-/m0/s1.
What are the key properties of (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione?
(8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione has a molecular weight of 525.55 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10S)-10-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-6-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione is sourced from PubChem (CID 59835284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).